Geometry & MOs

Info

ID:

377140

PubChem CID:

134223178

Reduced:

SN4H36C51 (1)

Stoich.:

AB4C36D51 (1)

Weight, g/mol:

760.266068

ΔHf, kcal/mol:

259.17

Dipole, Da:

1.59

IP(EA), eV:

 -8.11(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-dibenzothiophen-2-yl-3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-4-methylphenyl]carbazole

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CCC6C7=C(C=C(C=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)N(C6=C5)C1=CC=CC=C1

DOS

IR

Vibrations